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	hartrees
Energy at 0K	-1036.824557
Energy at 298.15K
HF Energy	-1036.115943
Nuclear repulsion energy	294.415640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3215	3063	5.73	73.62	0.74	0.85
2	A₁	3094	2947	10.08	233.04	0.00	0.01
3	A₁	1485	1414	3.07	17.18	0.75	0.86
4	A₁	1412	1345	5.10	0.63	0.60	0.75
5	A₁	1192	1136	35.24	1.36	0.56	0.72
6	A₁	957	911	7.26	6.03	0.70	0.82
7	A₁	581	553	13.58	11.92	0.04	0.07
8	A₁	368	351	0.44	2.15	0.42	0.59
9	A₁	262	250	1.11	4.02	0.67	0.80
10	A₂	3196	3044	0.00	10.53	0.75	0.86
11	A₂	1473	1403	0.00	20.54	0.75	0.86
12	A₂	1020	972	0.00	1.21	0.75	0.86
13	A₂	292	278	0.00	1.32	0.75	0.86
14	A₂	284	271	0.00	0.45	0.75	0.86
15	B₁	3200	3048	14.92	126.46	0.75	0.86
16	B₁	1495	1424	5.85	0.01	0.75	0.86
17	B₁	1146	1091	74.48	2.21	0.75	0.86
18	B₁	708	674	74.58	10.45	0.75	0.86
19	B₁	368	351	1.84	1.64	0.75	0.86
20	B₁	322	307	0.00	0.02	0.75	0.86
21	B₂	3214	3061	3.15	40.69	0.75	0.86
22	B₂	3092	2945	4.80	0.10	0.75	0.86
23	B₂	1471	1401	3.37	0.01	0.75	0.86
24	B₂	1397	1331	13.47	1.69	0.75	0.86
25	B₂	1241	1182	6.89	0.73	0.75	0.86
26	B₂	957	911	0.02	1.27	0.75	0.86
27	B₂	396	378	3.40	1.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.337
Cl2	1.467	0.000	-0.717
Cl3	-1.467	0.000	-0.717
C4	0.000	1.272	1.173
C5	0.000	-1.272	1.173
H6	0.000	2.160	0.524
H7	0.000	-2.160	0.524
H8	-0.899	1.290	1.810
H9	0.899	1.290	1.810
H10	0.899	-1.290	1.810
H11	-0.899	-1.290	1.810

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8063	1.8063	1.5220	1.5220	2.1679	2.1679	2.1546	2.1546	2.1546	2.1546
Cl2	1.8063		2.9335	2.7095	2.7095	2.8907	2.8907	3.6943	2.8936	2.8936	3.6943
Cl3	1.8063	2.9335		2.7095	2.7095	2.8907	2.8907	2.8936	3.6943	3.6943	2.8936
C4	1.5220	2.7095	2.7095		2.5440	1.0998	3.4926	1.1020	1.1020	2.7893	2.7893
C5	1.5220	2.7095	2.7095	2.5440		3.4926	1.0998	2.7893	2.7893	1.1020	1.1020
H6	2.1679	2.8907	2.8907	1.0998	3.4926		4.3197	1.7938	1.7938	3.7903	3.7903
H7	2.1679	2.8907	2.8907	3.4926	1.0998	4.3197		3.7903	3.7903	1.7938	1.7938
H8	2.1546	3.6943	2.8936	1.1020	2.7893	1.7938	3.7903		1.7982	3.1456	2.5810
H9	2.1546	2.8936	3.6943	1.1020	2.7893	1.7938	3.7903	1.7982		2.5810	3.1456
H10	2.1546	2.8936	3.6943	2.7893	1.1020	3.7903	1.7938	3.1456	2.5810		1.7982
H11	2.1546	3.6943	2.8936	2.7893	1.1020	3.7903	1.7938	2.5810	3.1456	1.7982

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.528	C1	C4	H8	109.353
C1	C4	H9	109.353	C1	C5	H7	110.528
C1	C5	H10	109.353	C1	C5	H11	109.353
Cl2	C1	Cl3	108.586	Cl2	C1	C4	108.692
Cl2	C1	C5	108.692	Cl3	C1	C4	108.692
Cl3	C1	C5	108.692	C4	C1	C5	113.387
H6	C4	H8	109.118	H6	C4	H9	109.118
H7	C5	H10	109.118	H7	C5	H11	109.118
H8	C4	H9	109.352	H10	C5	H11	109.352

All results from a given calculation for CH₃CCl₂CH₃ (Propane, 2,2-dichloro-)

using model chemistry: MP2/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3CCl2CH3 (Propane, 2,2-dichloro-)

using model chemistry: MP2/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CCl₂CH₃ (Propane, 2,2-dichloro-)